%chk=000053343.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053343

0 1
 O    4.554000      0.4505000      -1.295700    
 O    2.651800     -0.5873000      -2.072600    
 N   0.5648000     -4.5000002E-02 -0.3482000    
 N   -3.613200      0.1277000     -5.9799999E-02
 C  -0.8520000      1.3700000E-02 -0.2503000    
 C   -1.489900       1.255000     -0.1591000    
 C   -1.596000      -1.170500     -0.2462000    
 C   -2.891700       1.265300     -6.4199999E-02
 C   -2.993800      -1.065200     -0.1479000    
 C    1.574400     -0.1249000      0.6200000    
 C  -0.7671000       2.460700     -0.1612000    
 C  -0.9813000      -2.431500     -0.3367000    
 C   -3.532700       2.498100      2.6799999E-02
 C   -3.740200      -2.240600     -0.1433000    
 C    2.927200     -0.1718000      0.2590000    
 C   -1.431800       3.679800     -6.9200002E-02
 C   -1.750200      -3.591500     -0.3299000    
 C   -2.817400       3.698200      2.5000000E-02
 C   -3.132500      -3.495400     -0.2329000    
 C    1.228500     -0.1583000       1.977000    
 C    3.917100     -0.2507000       1.238600    
 C    2.218500     -0.2370000       2.956500    
 C    3.562700     -0.2833000       2.587300    
 C    3.330400     -0.1393000      -1.141300    
 C    5.060400      0.5434000      -2.631600    
 H   0.8804000      1.5100000E-02  -1.310700    
 H   0.3168000       2.482700     -0.2385000    
 H   9.6799999E-02  -2.542400     -0.4190000    
 H   -4.617900       2.538900      0.1014000    
 H   -4.825000      -2.191800     -6.8400003E-02
 H  -0.8715000       4.609700     -7.2099999E-02
 H   -1.273200      -4.564200     -0.4012000    
 H   -3.346000       4.644200      9.7000003E-02
 H   -3.741900      -4.394400     -0.2271000    
 H   0.1904000     -0.1240000       2.297200    
 H    4.972800     -0.3034000      0.9855000    
 H    1.942900     -0.2633000       4.006700    
 H    4.333100     -0.3482000       3.350300    
 H    4.387200       1.145300      -3.248900    
 H    5.185400     -0.4564000      -3.057600    
 H    6.036300       1.034400      -2.592400    


%chk=000053343-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000053343

0 1
O 4.759812 -0.226390 -1.305100
O 2.596150 -0.724408 -1.980678
N 0.612422 -0.100085 -0.329448
N -3.687864 -0.025956 -0.011416
C -0.799487 -0.048019 -0.188210
C -1.494741 1.157329 0.147874
C -1.555783 -1.229067 -0.476828
C -2.951653 1.099808 0.251458
C -3.011207 -1.156769 -0.388655
C 1.584086 0.230643 0.618224
C -0.843241 2.427282 0.333504
C -0.946678 -2.484420 -0.828850
C -3.671274 2.292660 0.617284
C -3.786040 -2.330610 -0.693865
C 2.984567 0.161325 0.263067
C -1.575890 3.563831 0.663554
C -1.729885 -3.600101 -1.114701
C -3.002740 3.493963 0.825708
C -3.163666 -3.521298 -1.055008
C 1.244206 0.600939 1.955526
C 3.972880 0.502496 1.230554
C 2.242092 0.923255 2.886961
C 3.617265 0.888844 2.530736
C 3.387714 -0.292362 -1.078937
C 5.213994 -0.691370 -2.636317
H 1.008889 -0.512673 -1.196854
H 0.239886 2.496674 0.200592
H 0.145127 -2.562436 -0.859334
H -4.758751 2.207649 0.704197
H -4.874328 -2.239141 -0.626001
H -1.064119 4.523701 0.793022
H -1.252239 -4.549733 -1.379377
H -3.560982 4.396855 1.096588
H -3.763047 -4.408767 -1.286152
H 0.193166 0.620181 2.254459
H 5.022913 0.446265 0.931224
H 1.948891 1.198995 3.906278
H 4.387545 1.146402 3.263833
H 4.748683 -0.086406 -3.432233
H 4.945572 -1.750732 -2.784525
H 6.304355 -0.556054 -2.619854


